4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide

C20H22N4O2 — CID 162763930

IUPAC4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
SMILESCc1cccc2c(=O)n3cccc(C(=O)NCCN4CCCC4)c3nc12
InChIInChI=1S/C20H22N4O2/c1-14-6-4-7-15-17(14)22-18-16(8-5-12-24(18)20(15)26)19(25)21-9-13-23-10-2-3-11-23/h4-8,12H,2-3,9-11,13H2,1H3,(H,21,25)
InChIKeyIYLUDYLMALFFMF-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.98
Rot. Bonds4

About 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide

4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide (PubChem CID 162763930) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
PubChem CID162763930
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
SMILESCc1cccc2c(=O)n3cccc(C(=O)NCCN4CCCC4)c3nc12
InChIInChI=1S/C20H22N4O2/c1-14-6-4-7-15-17(14)22-18-16(8-5-12-24(18)20(15)26)19(25)21-9-13-23-10-2-3-11-23/h4-8,12H,2-3,9-11,13H2,1H3,(H,21,25)
InChIKeyIYLUDYLMALFFMF-UHFFFAOYSA-N
XLogP1.98
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
CID 162763945
9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364468
N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20886611
N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
CID 162763951
16-[1-(2-pyrrolidin-1-ylethylamino)ethenyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaen-11-one
CID 162763933
7-cyclohexyl-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 5018339
N-(2-aminoethyl)-11-oxo-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
CID 162763934
7-(1,3-benzodioxol-5-ylmethyl)-6-imino-11-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3553269
2-chloro-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide
CID 3243133
6-imino-11-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1077510
14,14-difluoro-N-[2-(4-hydroxypiperidin-1-yl)ethyl]-9-oxo-13,15-dioxa-2,8-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,4,6,10,12(16)-hexaene-4-carboxamide
CID 162763917
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545

Frequently Asked Questions

What is the IUPAC name of 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide (CID 162763930) is 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide is Cc1cccc2c(=O)n3cccc(C(=O)NCCN4CCCC4)c3nc12.
What is the InChIKey of 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
The InChIKey is IYLUDYLMALFFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-6-4-7-15-17(14)22-18-16(8-5-12-24(18)20(15)26)19(25)21-9-13-23-10-2-3-11-23/h4-8,12H,2-3,9-11,13H2,1H3,(H,21,25).
What are the key properties of 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide?
4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 162763930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).